2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide

C21H28N2O2 — CID 72843487

IUPAC2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide
SMILESCCN1CCC(CC(=O)NCC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H28N2O2/c1-2-23-11-9-16(10-12-23)13-21(25)22-15-20(24)19-8-7-17-5-3-4-6-18(17)14-19/h3-8,14,16,20,24H,2,9-13,15H2,1H3,(H,22,25)
InChIKeyYQOAQARHGVNJFF-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.11
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide

2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide (PubChem CID 72843487) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide
PubChem CID72843487
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide
SMILESCCN1CCC(CC(=O)NCC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H28N2O2/c1-2-23-11-9-16(10-12-23)13-21(25)22-15-20(24)19-8-7-17-5-3-4-6-18(17)14-19/h3-8,14,16,20,24H,2,9-13,15H2,1H3,(H,22,25)
InChIKeyYQOAQARHGVNJFF-UHFFFAOYSA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide (CID 72843487) is 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide is CCN1CCC(CC(=O)NCC(O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide?
The InChIKey is YQOAQARHGVNJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-23-11-9-16(10-12-23)13-21(25)22-15-20(24)19-8-7-17-5-3-4-6-18(17)14-19/h3-8,14,16,20,24H,2,9-13,15H2,1H3,(H,22,25).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide?
2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 72843487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).